NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4559 8.2893 120.3279 55.5633 33.2261 175.2041 2 D 4.7703 7.8046 117.5252 49.5264 41.8743 174.5632 3 I 4.4158 7.9699 117.7378 57.9393 40.5503 174.9822 4 P 4.4059 0.0000 0.0000 63.0405 32.1842 176.7239 5 K 4.0723 8.8013 123.0262 58.1049 32.6293 177.3644 6 I 4.9435 7.7090 120.3146 59.7652 39.8865 175.2791 7 T 4.5255 9.0306 124.7814 61.7986 70.9464 174.2541 8 T 4.5391 8.2132 123.1211 63.4001 69.6950 173.6729 9 F 4.6625 9.3581 128.4269 56.6708 42.1830 174.2997 10 L 4.7285 8.0776 126.3321 53.0544 45.1112 175.1402 *12 F 4.8711 8.2971 117.8479 57.6071 39.2479 174.3210 13 N 4.5970 8.2122 119.5011 55.2050 39.3086 175.8921 14 N 5.2153 7.6212 117.1254 52.7734 40.2084 174.7485 15 Q 4.6946 8.0348 111.8747 53.7550 31.6981 177.9057 16 A 3.0252 8.1389 123.1722 54.9078 18.3839 180.0956 17 E 3.6496 7.9085 117.3394 59.3532 29.6546 178.7422 18 E 3.7080 7.8383 117.6541 59.2673 29.5633 178.6871 19 A 3.3227 7.4403 120.8227 54.9497 18.1872 179.4355 20 V 2.7043 7.1551 116.4961 66.0485 31.3535 178.1973 21 K 3.7153 7.5681 118.8013 59.2301 31.7935 178.5498 22 L 3.8267 7.5241 120.7051 58.2681 42.0326 178.5296 23 Y 4.5895 7.5330 116.6992 61.2236 37.7243 177.7746 24 T 4.0952 7.7855 117.2809 66.2605 68.6650 176.3433 25 S 4.2928 7.6809 115.1376 61.5367 62.9399 176.5044 26 L 4.0372 7.6528 120.3636 56.6758 41.7874 177.8066 27 F 4.3609 7.5557 115.8305 56.1266 40.1553 174.6449 28 E 3.9747 8.4468 123.0584 58.7516 29.8903 177.8208 29 D 4.9217 8.3398 122.4116 53.9772 40.1271 175.1308 30 S 5.2288 7.4564 115.4308 56.8878 67.8209 174.1507 31 E 4.8197 8.3159 117.6272 55.4441 33.6788 174.8414 32 I 4.3832 8.6266 127.9643 61.4290 36.9306 175.7608 33 I 4.1673 8.7225 122.0305 62.9627 38.6950 175.5638 34 T 4.3589 7.6008 117.3892 62.6572 73.3032 171.9885 *36 A 4.2834 8.2694 123.2988 52.0708 19.9041 176.4787 37 K 4.6683 8.4567 121.5724 55.1592 34.6655 175.9667 38 Y 4.4631 8.8216 120.6917 57.7546 38.5536 177.4354 39 G 3.6603 9.0739 112.4691 47.5747 0.0000 172.8726 *45 D 4.3407 7.9013 120.2570 53.2357 41.8777 173.1142 46 P 4.8670 0.0000 0.0000 63.7539 32.2279 176.4088 47 G 4.0553 8.8929 109.8761 45.7491 0.0000 174.1844 48 T 4.1953 7.5130 115.7023 63.3449 70.0046 174.0117 49 V 3.9731 8.3096 123.9925 63.2083 32.2213 176.0571 50 Q 3.7915 9.1971 129.9022 57.6463 30.3910 175.5105 51 H 4.8513 7.6660 117.6058 54.9794 32.7593 172.7211 52 S 5.4078 8.4594 119.5221 55.5440 65.6522 172.9940 53 I 4.8816 8.3063 126.1279 59.5158 40.4335 174.3654 54 F 5.5232 8.6226 120.7928 55.5960 41.8222 173.5083 55 T 5.2331 8.9816 115.7193 62.0884 71.5888 174.1390 56 L 4.7110 8.8160 124.1587 53.5247 45.7795 176.4037 57 N 4.3365 10.0704 122.7071 54.4249 36.1729 175.4406 58 G 3.9538 8.3756 103.3875 45.8893 0.0000 173.9306 59 Q 4.5137 7.8593 119.2582 53.6111 30.5859 175.1258 60 V 4.1515 8.1156 122.5814 62.7101 32.7526 174.6055 61 F 4.5767 8.3860 128.8770 56.1154 42.8472 173.9539 *63 A 4.6256 8.4909 121.9021 53.1002 20.2543 176.1339 64 I 4.5172 8.3715 115.3112 61.9993 41.2681 174.6766 65 D 4.6221 9.4060 124.8035 53.6283 38.3945 173.5548 *77 P 4.5746 0.0000 0.0000 62.1063 34.3187 178.4725 78 I 5.4913 7.5530 118.6199 59.0190 37.8057 173.9951 79 S 4.4552 8.5561 116.1222 58.7280 64.3084 172.7419 80 L 5.0420 8.4829 118.7751 52.9472 44.2141 175.7519 81 F 4.7208 9.3710 127.2565 56.5222 41.3977 174.4030 82 V 4.6440 9.1337 128.2423 61.4674 32.9114 175.1973 83 T 4.5539 8.2726 125.9213 63.3165 68.3076 174.7213 84 V 3.9506 8.3402 129.9435 62.7200 31.8942 177.2803 85 K 4.2182 8.7522 128.0874 57.2813 31.3687 175.4909 86 D 4.6427 7.7601 117.2535 54.3900 44.6596 176.9207 *87 T 4.0458 8.6921 113.4277 64.3496 68.8186 176.7013 88 I 3.8687 8.0244 124.7591 65.1435 37.5068 178.6446 *89 E 3.9219 7.4859 112.7172 57.2281 30.2487 180.5045 *91 E 4.3629 8.2087 119.0830 57.5759 31.6936 178.1419 92 R 3.9145 8.1861 117.4330 59.7216 30.1163 179.2224 93 L 3.8796 8.0133 118.2561 57.5781 41.6047 179.0241 94 F 3.9177 8.1716 120.0876 61.6645 37.9147 176.8148 95 N 4.3823 8.8547 116.4045 56.0579 38.1000 177.7563 96 G 3.6159 7.9770 106.5509 47.7750 0.0000 175.3107 97 L 4.0947 7.9833 121.5522 56.3444 41.8800 179.0544 98 K 3.8060 7.8191 119.3315 57.2747 31.9252 176.1483 99 D 4.3247 6.9385 118.8861 56.9140 41.2733 175.9701 100 E 3.7831 8.7524 120.5649 56.4927 27.2195 171.1544 101 G 4.1722 8.0375 105.6332 45.3519 0.0000 173.3823 102 A 4.5918 8.5002 121.8006 50.6584 20.7769 176.7584 103 I 4.4134 8.1678 123.2040 60.1609 37.5596 175.8199 104 L 4.1066 8.7316 127.7952 55.3603 41.9751 174.9436 *106 P 4.3894 0.0000 0.0000 62.0010 32.8986 176.0579 107 K 4.0908 8.0138 118.9550 57.1173 32.4147 177.2627 108 T 4.6890 8.5363 120.5806 62.2566 73.2520 172.9813 109 N 5.6217 8.6499 124.3101 51.8351 40.3072 172.4388 *111 P 4.2518 0.0000 0.0000 61.7223 32.5076 175.3380 112 P 4.3928 0.0000 0.0000 63.3608 30.7394 175.4124 113 Y 4.9434 7.3840 115.6249 56.7710 40.0538 175.7244 114 R 4.1689 8.8931 124.7475 59.6170 31.3497 175.8014 115 E 5.2553 8.1226 116.9117 55.4437 33.4580 173.5795 116 F 5.2473 9.0499 124.9108 57.2350 43.4110 172.7354 117 A 4.8538 7.7195 125.3229 50.3119 23.3978 175.0237 118 W 5.4504 8.7130 128.3519 55.8973 34.1085 173.9285 119 V 4.7742 9.1151 127.2993 61.1063 34.3693 173.7607 120 Q 4.9961 8.9212 129.9738 54.8652 30.6857 175.4519 121 D 5.4814 9.0378 126.1378 51.2792 40.9923 177.1854 122 K 4.0462 8.2492 117.5960 59.4453 32.2631 177.5845 123 F 4.4934 8.0037 116.2711 57.2645 39.1491 176.5538 124 G 3.9929 8.7602 110.2705 44.9431 0.0000 173.7572 125 V 4.1181 8.0677 119.8520 61.6418 32.9686 174.4398 126 S 5.1483 8.3565 122.6412 57.7900 64.8062 172.8336 127 F 5.0992 9.3570 123.0513 55.7813 41.2837 174.1435 128 Q 4.5491 9.1032 123.2785 54.1311 30.8090 174.5249 129 L 4.7378 8.0822 124.1889 52.8000 44.2100 175.3504 130 A 4.5929 8.8199 126.4079 49.8069 21.9089 174.3700 131 L 4.6499 8.9330 126.3452 53.4594 42.8147 175.3017 132 P 4.4076 0.0000 0.0000 66.0294 31.8748 177.3449 *133 E 4.1134 8.2357 118.0340 56.2619 29.5192 175.7329 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.46 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 2 D 7.80 4.77 0.00 2.84 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 7.97 4.42 1.87 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.75 0.92 0.00 0.00 4 P 0.00 4.41 0.00 2.28 2.04 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.83 0.00 5 K 8.80 4.07 0.00 1.47 1.89 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.08 7.81 6 I 7.71 4.94 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.12 0.95 0.00 0.00 7 T 9.03 4.53 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 8 T 8.21 4.54 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 9 F 9.36 4.66 0.00 3.17 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.08 4.73 0.00 1.83 1.21 1.14 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 *12 F 8.30 4.87 0.00 3.23 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.21 4.60 0.00 2.79 2.81 0.00 0.00 6.64 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.62 5.22 0.00 2.68 2.74 0.00 0.00 6.64 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.03 4.69 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 16 A 8.14 3.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.91 3.65 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 18 E 7.84 3.71 0.00 1.82 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 19 A 7.44 3.32 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.16 2.70 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.22 0.00 0.00 21 K 7.57 3.72 0.00 1.87 1.75 0.00 1.61 0.00 0.00 1.47 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.35 7.81 22 L 7.52 3.83 0.00 1.63 1.30 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.53 4.59 0.00 2.98 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.79 4.10 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 25 S 7.68 4.29 0.00 3.95 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.65 4.04 0.00 1.73 1.41 1.03 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 27 F 7.56 4.36 0.00 3.10 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.45 3.97 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 29 D 8.34 4.92 0.00 2.85 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.46 5.23 0.00 4.23 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.32 4.82 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 32 I 8.63 4.38 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.61 0.90 0.00 0.00 33 I 8.72 4.17 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.59 1.00 0.00 0.00 34 T 7.60 4.36 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 *36 A 8.27 4.28 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.46 4.67 0.00 1.63 1.82 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.37 7.81 38 Y 8.82 4.46 0.00 3.19 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 9.07 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *45 D 7.90 4.34 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.87 0.00 2.21 2.31 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 47 G 8.89 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.51 4.20 4.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 49 V 8.31 3.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.86 0.00 0.00 50 Q 9.20 3.79 0.00 0.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.32 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 51 H 7.67 4.85 0.00 3.08 3.06 0.00 5.74 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.46 5.41 0.00 3.84 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.31 4.88 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.32 0.86 0.00 0.00 54 F 8.62 5.52 0.00 3.15 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.98 5.23 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 56 L 8.82 4.71 0.00 1.27 1.03 -0.18 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 57 N 10.07 4.34 0.00 2.93 2.96 0.00 0.00 7.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.38 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.86 4.51 0.00 2.53 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 60 V 8.12 4.15 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.88 0.00 0.00 61 F 8.39 4.58 0.00 1.51 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *63 A 8.49 4.63 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.37 4.52 1.97 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.94 0.97 0.00 0.00 65 D 9.41 4.62 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *77 P 0.00 4.57 0.00 2.12 2.17 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 78 I 7.55 5.49 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.40 0.93 0.00 0.00 79 S 8.56 4.46 0.00 4.09 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.48 5.04 0.00 1.11 1.52 0.65 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.37 4.72 0.00 2.91 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 9.13 4.64 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.06 0.00 0.00 83 T 8.27 4.55 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 84 V 8.34 3.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.87 0.00 0.00 85 K 8.75 4.22 0.00 1.82 1.71 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.03 7.81 86 D 7.76 4.64 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 T 8.69 4.05 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 88 I 8.02 3.87 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.30 0.90 0.00 0.00 *89 E 7.49 3.92 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 *91 E 8.21 4.36 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 92 R 8.19 3.91 0.00 1.98 1.98 0.00 3.11 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 93 L 8.01 3.88 0.00 1.81 1.61 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.17 3.92 0.00 3.08 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.85 4.38 0.00 2.77 2.85 0.00 0.00 7.03 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.98 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.98 4.09 0.00 1.44 1.45 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.82 3.81 0.00 1.07 1.55 0.00 1.54 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.35 7.81 99 D 6.94 4.32 0.00 2.54 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.75 3.78 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.85 0.00 101 G 8.04 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.50 4.59 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.17 4.41 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.52 1.05 0.00 0.00 104 L 8.73 4.11 0.00 0.97 1.08 -0.10 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *106 P 0.00 4.39 0.00 2.09 2.22 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 107 K 8.01 4.09 0.00 1.34 1.75 0.00 1.33 0.00 0.00 0.62 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.10 0.53 7.81 108 T 8.54 4.69 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 109 N 8.65 5.62 0.00 2.76 2.73 0.00 0.00 7.34 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *111 P 0.00 4.25 0.00 2.08 1.97 0.00 3.73 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 112 P 0.00 4.39 0.00 1.82 1.89 0.00 3.41 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.51 0.00 113 Y 7.38 4.94 0.00 3.09 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.89 4.17 0.00 2.02 2.08 0.00 3.23 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.46 0.00 115 E 8.12 5.26 0.00 2.06 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 116 F 9.05 5.25 0.00 3.11 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.72 4.85 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 W 8.71 5.45 0.00 3.34 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 9.12 4.77 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.73 0.00 0.00 120 Q 8.92 5.00 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 121 D 9.04 5.48 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.25 4.05 0.00 1.45 1.89 0.00 1.07 0.00 0.00 1.23 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.83 0.21 7.81 123 F 8.00 4.49 0.00 3.29 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.76 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.07 4.12 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.02 0.00 0.00 126 S 8.36 5.15 0.00 3.95 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 9.36 5.10 0.00 3.07 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 9.10 4.55 0.00 1.38 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 1.16 1.72 0.00 129 L 8.08 4.74 0.00 1.33 1.41 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.82 4.59 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.93 4.65 0.00 1.68 1.71 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.41 0.00 2.06 2.24 0.00 3.87 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 *133 E 8.24 4.11 0.00 2.17 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.